O,O-tert-butyl isopropyl monoperoxycarbonate

Partition coefficient

Link to relevant study record(s)

Reference

Endpoint:

partition coefficient

Type of information:

experimental study

Adequacy of study:

key study

Study period:

2013

Reliability:

1 (reliable without restriction)

Rationale for reliability incl. deficiencies:

guideline study

Qualifier:

according to guideline

Guideline:

OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)

Deviations:

yes

Remarks:

The test and reference substances were dissolved in methanol

GLP compliance:

no

Type of method:

HPLC method

Partition coefficient type:

octanol-water

Specific details on test material used for the study:

Chemical name: tert-Butylperoxy isopropyl carbonate
Trade name: Trigonox BPIC-C75
CAS number: 2372-21-6
Batch/lot no.: 1203442069
Composition: See CoA
Best before: 01-04-2022
Storage until required: -25°C

Key result

Type:

log Pow

Partition coefficient:

2.5

Remarks on result:

other: pH not noted

Table IV: Data retention time and corresponding log k, log K_owdata

Substance	log Kow theor.	Average net retention time (min)	Average log k
Thiourea		0
Aniline	0.9	0.46	-0.53
Methyl benzoate	2.1	1.55	0.00
Bromobenzene	3.0	3.69	0.38
Phenantrene	4.5	12.19	0.90
Fluoranthene	5.1	18.74	1.08
4,4'-DDT	6.5	32.12	1.32
tert-Butylperoxy isopropyl carbonate		2.07	0.13

Conclusions:

In the test, the average measured Log Kow value for tert-Butylperoxy isopropyl carbonate was calculated with the retention time from two injections using the calibration plot of Log k versus Log Kow of the selected reference substances. The average measured Log Kow value for tert-Butylperoxy isopropyl carbonate, as determined from the test, was 2.5. tert-Butylperoxy isopropyl carbonate had a Kow of 3.4E+02.

Executive summary:

The partition coefficient n-octanol/water (K_ow) of tert-Butylperoxy isopropyl carbonatewas estimated using the High Performance Liquid Chromatography (HPLC) method. The K_owtest was performed in accordance with the OECD guideline 117 with amodification, the test- and reference substances were dissolved in methanol. The dataon the partition coefficient can be used to predict the adsorption on soil and sediments and for establishing quantitative structure-activity relationships for a wide range of biological effects

 

The average measured Log K_owvalue for tert-Butylperoxy isopropyl carbonate, as determined from the test was 2.5. tert-Butylperoxy isopropyl carbonate had a K_owof 3.4E+02.

Description of key information

The partition coefficient log Pow value for tert-butylperoxy isopropyl carbonate is 2.5.

Key value for chemical safety assessment

Log Kow (Log Pow):

2.5

at the temperature of:

30 °C

Additional information

The calculated log Kow value by extrapolation is 2.2. The experimentally determined partition coefficient log Pow value for tet-butylperoxy isopropyl carbonate is 2.5.